Methyl 4-Azaindole-3-carboxylate - CAS 952800-39-4
Catalog: |
BB041669 |
Product Name: |
Methyl 4-Azaindole-3-carboxylate |
CAS: |
952800-39-4 |
Synonyms: |
1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid methyl ester; methyl 1H-pyrrolo[3,2-b]pyridine-3-carboxylate |
IUPAC Name: | methyl 1H-pyrrolo[3,2-b]pyridine-3-carboxylate |
Description: | Methyl 4-Azaindole-3-carboxylate (CAS# 952800-39-4) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | COC(=O)C1=CNC2=C1N=CC=C2 |
InChI: | InChI=1S/C9H8N2O2/c1-13-9(12)6-5-11-7-3-2-4-10-8(6)7/h2-5,11H,1H3 |
InChI Key: | LFOJQCBWPFHMJU-UHFFFAOYSA-N |
Boiling Point: | 347.469 °C at 760 mmHg |
Density: | 1.325 g/cm3 |
LogP: | 1.34950 |
Publication Number | Title | Priority Date |
WO-2020160100-A1 | Compounds and uses thereof | 20190129 |
TW-202017928-A | Novel tricyclic compounds | 20180625 |
CN-112513041-A | Tricyclic compounds | 20180625 |
TW-I705965-B | Novel tricyclic compounds | 20180625 |
EP-3039024-A1 | Pyrrolopyridine or pyrazolopyridine derivatives | 20130830 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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